N-heptan-4-yl-2-methyl-5-methylsulfonyl-aniline

Systemtic Name: N-heptan-4-yl-2-methyl-5-methylsulfonyl-aniline Openeye Name: 2-methyl-5-methylsulfonyl-N-(1-propylbutyl)aniline CAS Name: N-heptan-4-yl-2-methyl-5-methylsulfonylaniline IUPAC Name: N-heptan-4-yl-2-methyl-5-methylsulfonylaniline Traditional Name: (5-mesyl-2-methyl-phenyl)-(1-propylbutyl)amine Formula: C15H25NO2S MolecularWeight: 283.4295

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NC1=C(C=CC(=C1)S(=O)(=O)C)C

Isomeric SMILES

CCCC(CCC)NC1=C(C=CC(=C1)S(=O)(=O)C)C

InChI

InChI=1S/C15H25NO2S/c1-5-7-13(8-6-2)16-15-11-14(19(4,17)18)10-9-12(15)3/h9-11,13,16H,5-8H2,1-4H3